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Dental workers in front-line of COVID-19: an in silico evaluation targeting their prevention.
Sette-DE-Souza, Pedro Henrique; Costa, Moan Jéfter Fernandes; Amaral-Machado, Lucas; Araújo, Fábio Andrey da Costa; Almeida Filho, Adauto Trigueiro; Lima, Luiza Rayanna Amorim de.
Afiliação
  • Sette-DE-Souza PH; Universidade de Pernambuco, Faculdade de Odontologia, Programa de Pós-Graduação em Saúde e Desenvolvimento Socioambiental, Arcoverde, Brasil.
  • Costa MJF; Universidade Federal do Rio Grande do Norte, Departamento de Odontologia, Natal, Brasil.
  • Amaral-Machado L; Universidade Federal do Rio Grande do Norte, Departamento de Farmácia, Natal, Brasil.
  • Araújo FADC; Universidade de Pernambuco, Faculdade de Odontologia, Arcoverde, Brasil.
  • Almeida Filho AT; Universidade de Pernambuco, Bacharelado em Engenharia de Software, Garanhuns, Brasil.
  • Lima LRA; Universidade de Pernambuco, Programa de Pós-Graduação em Saúde e Desenvolvimento Socioambiental, Laboratório de Biologia Celular e Molecular, Garanhuns, Brasil.
J Appl Oral Sci ; 29: e20200678, 2021.
Article em En | MEDLINE | ID: mdl-33787730
OBJECTIVE: SARS-CoV-2 has high human-human transmission rate. The aerosols and saliva droplets are the main contamination source. Thus, it is crucial to point out that dental practitioners become a high-risk group of contagion by SARS-CoV-2. Based on this, protocols have been recommended to avoid cross-contamination during dental care; however, appropriate evidence has not yet been established. Our study sought to make a screening, by in silico analysis, of the potential of mouth rinses used in dental practices to prevent the dental workers' contamination by SARS-CoV-2. METHODOLOGY: Multiple sequence comparisons and construction of the phylogenetic tree were conducted using the FASTA code. Therefore, molecular docking investigation between SARS-CoV-2 proteins (Main Protease, Spike Glycoprotein, Non-structure Protein, and Papain-like Protease) and molecules used in dental practices (chlorhexidine digluconate, hydrogen peroxide, cetylpyridinium chloride, povidone-iodine, gallic acid, ß-cyclodextrin, catechin, and quercetin) was performed using AutoDock Vina. Moreover, 2D interactions of the complex protein-ligand structure were analyzed by Ligplot+. RESULTS: The obtained results showed a remarkable affinity between SARS-CoV-2 proteins and all tested compounds. The chlorhexidine digluconate, catechin, and quercetin presented a higher affinity with SARS-CoV-2. CONCLUSIONS: The overall results allowed us to suggest that chlorhexidine is the most suitable active compound in reducing the SARS-CoV-2 salivary load due to its better binding energy. However, in vivo studies should be conducted to confirm their clinical use.
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: COVID-19 Tipo de estudo: Guideline Limite: Humans Idioma: En Revista: J Appl Oral Sci Assunto da revista: ODONTOLOGIA Ano de publicação: 2021 Tipo de documento: Article País de afiliação: Brasil País de publicação: Brasil
Texto completo
Adicionar na Minha BVS
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: COVID-19 Tipo de estudo: Guideline Limite: Humans Idioma: En Revista: J Appl Oral Sci Assunto da revista: ODONTOLOGIA Ano de publicação: 2021 Tipo de documento: Article País de afiliação: Brasil País de publicação: Brasil